4199-0165 Screening compound: (2E,6E)-2,6-bis[(5-nitrofuran-2-yl)methylidene]cyclohexan-1-one

4199-0165 Screening compound: (2E,6E)-2,6-bis[(5-nitrofuran-2-yl)methylidene]cyclohexan-1-one
4199-0165 Screening compound: (2E,6E)-2,6-bis[(5-nitrofuran-2-yl)methylidene]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4199-0165
(2E,6E)-2,6-bis[(5-nitrofuran-2-yl)methylidene]cyclohexan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4199-0165

Molecular Formula

C16H12N2O7 (C16 H12 N2 O7)

Compound Name

(2E,6E)-2,6-bis[(5-nitrofuran-2-yl)methylidene]cyclohexan-1-one

IUPAC name

(2E6E)-26-bis[(5-nitrofuran-2-yl)methylidene]cyclohexan-1-one

SMILES

[O-][N+](c1ccc(/C=C(\CCC/C2=C\c3ccc([N+]([O-])=O)o3)/C2=O)o1)=O

InChI

InChI=1S/C16H12N2O7/c19-16-10(8-12-4-6-14(24-12)17(20)21)2-1-3-11(16)9-13-5-7-15(25-13)18(22)23/h4-9H,1-3H2

InChI Key

LRTHCMHYZDMXSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.28

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.86

Polar Surface Area

96.696

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 4199-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4199-0165?
Check Price and Availability of 4199-0165, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4199-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4199-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4199-0165
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4199-0165 available by request